Among abiotic stresses, drought is undoubtedly one of the most severe environmental factors for a wide range major crops, leading to considerable yield and economic losses. The adverse effects in crop reflect result series morphological physiological changes but also signaling pathways, transcriptional post-transcriptional regulation stress-responsive genes, metabolic adaptations. Despite exhau...

In this article we compare different force fields that are widely used (Gromacs, Charmm-22/x-Plor, Charmm-27, Amber-1999, OPLS-AA) in biophysical simulations containing aqueous NaCl. We show that the uncertainties of the microscopic parameters of, in particular, sodium, and, to a lesser extent, chloride, translate into large differences in the computed radial-distribution functions. This uncert...

A Monte Carlo algorithm that searches for the optimal docking configuration of hen egg white lysozyme to an antibody is developed. Both the lysozyme and the antibody are kept rigid. Unlike the work of other authors, our algorithm does not attempt to explicitly maximize surface contact, but minimizes the energy computed using coarse-grained pair potentials. The final refinement of our best solut...

Uterine bacterial community abundances shift throughout the estrous cycle, potentially altering immunological environment of uterus and impacting subsequent fertility. The objective current study was to evaluate impact lipopolysaccharide (LPS), as a model for pathogenic bacteria, uterine endometrium between luteal follicular phase cycle. Bovine tracts were harvested in mid-luteal (n = 7) or pha...

We used a gas chromatography-mass spectrometry (GC-MS) based metabolomics approach to obtain the metabolic profiling of unexplained male infertility (UMI), and identified seminal plasma biomarkers associated with UMI by a two-stage population study. A robust OPLS-DA model based on these identified metabolites was able to distinguish 82% of the UMI patients from health controls with a specificit...

In this study, geometrical optimizations of Clonidine Drug were carried out with the HF/6-31g basissets .Then, drug was put covalently to carbon nanocone with (5, 1) structure and a length of 150A. Weuse chem Office software and hyper chem at the end data will be presented as tables and Figs.Simulation was done in MM+, AMBER and OPLS force fields by Monte Carlo method. Threeimportant energy par...

This study investigated the influence of monthly variation on composition and properties raw farm milk collected as part a full-scale cheese-making trial in region northern Sweden. In our companion paper, contribution on-farm factors to quality attributes is described. total, 42 dairy farms were recruited for study, samples over 1 yr characterized importance cheese making. Principal component a...

in this study, geometrical optimizations of clonidine drug were carried out with the hf/6-31g basissets .then, drug was put covalently to carbon nanocone with (5, 1) structure and a length of 150a. weuse chem office software and hyper chem at the end data will be presented as tables and figs.simulation was done in mm+, amber and opls force fields by monte carlo method. threeimportant energy par...

in this study, monte carlo statistical mechanical simulations for vinblastine and vincristine werecarried out in standard manner using the metropolis sampling technique in canonical (t, v, n)ensemble., geometrical optimizations of vinblastine and vincristine were carried out with the hfmethod coupled to 6-31g(d) basis sets for all atoms. simulation was done by four force fields ofmm+, bio+, amb...